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From: Eric B. <er...@pi...> - 2014-06-20 19:10:09
|
Hi Karol, I'll take a look at the unit tests and see what sorts of jobs are there. Let me know if there is anything specific/special that should be included. Eric On Fri, Jun 20, 2014 at 2:49 PM, Karol M. Langner <kar...@gm...> wrote: > Hi Eric, > > No one is working on a Q-Chem parser at this time, but we would be > very interested if you would be willing to contribute one. > > I think the easiest way to start off is to replicate some basic > unit tests we have in Q-Chem, and start hacking away at the > attributes you can parse from those outputs. > > Cheers, > Karol > > On Jun 19 2014, Eric Berquist wrote: > > Hello, > > > > I'm interested in contributing a Q-Chem parser to cclib, but I want to > make > > sure first that no one else is working on one. Is this something that is > of > > interest? > > > > Eric > > > > ------------------------------------------------------------------------------ > > HPCC Systems Open Source Big Data Platform from LexisNexis Risk Solutions > > Find What Matters Most in Your Big Data with HPCC Systems > > Open Source. Fast. Scalable. Simple. Ideal for Dirty Data. > > Leverages Graph Analysis for Fast Processing & Easy Data Exploration > > http://p.sf.net/sfu/hpccsystems > > > _______________________________________________ > > cclib-devel mailing list > > ccl...@li... > > https://lists.sourceforge.net/lists/listinfo/cclib-devel > > > -- > written by Karol M. Langner > Fri Jun 20 14:48:10 EDT 2014 > |
From: Karol M. L. <kar...@gm...> - 2014-06-20 18:49:53
|
Hi Eric, No one is working on a Q-Chem parser at this time, but we would be very interested if you would be willing to contribute one. I think the easiest way to start off is to replicate some basic unit tests we have in Q-Chem, and start hacking away at the attributes you can parse from those outputs. Cheers, Karol On Jun 19 2014, Eric Berquist wrote: > Hello, > > I'm interested in contributing a Q-Chem parser to cclib, but I want to make > sure first that no one else is working on one. Is this something that is of > interest? > > Eric > ------------------------------------------------------------------------------ > HPCC Systems Open Source Big Data Platform from LexisNexis Risk Solutions > Find What Matters Most in Your Big Data with HPCC Systems > Open Source. Fast. Scalable. Simple. Ideal for Dirty Data. > Leverages Graph Analysis for Fast Processing & Easy Data Exploration > http://p.sf.net/sfu/hpccsystems > _______________________________________________ > cclib-devel mailing list > ccl...@li... > https://lists.sourceforge.net/lists/listinfo/cclib-devel -- written by Karol M. Langner Fri Jun 20 14:48:10 EDT 2014 |
From: Eric B. <er...@pi...> - 2014-06-19 23:37:34
|
Hello, I'm interested in contributing a Q-Chem parser to cclib, but I want to make sure first that no one else is working on one. Is this something that is of interest? Eric |